[
  {
    "molid": "mol38051",
    "smiles": "CC(C)(CNCC(C)(C)C(=O)O)C(=O)O",
    "microspecies": [
      {
        "id": "0_2",
        "charge": 0,
        "smiles": "CC(C)(C[NH2+]CC(C)(C)C(=O)O)C(=O)[O-]",
        "std_free_energy": -8.799966812133789,
        "relative_population": 0.9998759500274383
      },
      {
        "id": "-1_1",
        "charge": -1,
        "smiles": "CC(C)(C[NH2+]CC(C)(C)C(=O)[O-])C(=O)[O-]",
        "std_free_energy": -13.152344703674316,
        "relative_population": 0.9997601124030386
      }
    ],
    "macro_pka_values": [
      {
        "pka_value": 2.70000004768372,
        "charge_state_pre": 0,
        "charge_state_post": -1,
        "data_source": "QSARToolbox"
      }
    ]
  }
]